4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine

C20H12F3NOS — CID 58622626

IUPAC4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3cncc4sccc34)cc2)cc1
InChIInChI=1S/C20H12F3NOS/c21-20(22,23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)25-18-11-24-12-19-17(18)9-10-26-19/h1-12H
InChIKeyQQXYZBHTUQZSKU-UHFFFAOYSA-N
MW371.38 g/mol
LogP6.77
Rot. Bonds3

About 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine

4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine (PubChem CID 58622626) has the molecular formula C20H12F3NOS and a molecular weight of 371.38 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
PubChem CID58622626
Molecular FormulaC20H12F3NOS
Molecular Weight371.38 g/mol
Exact Mass371.06
IUPAC Name4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3cncc4sccc34)cc2)cc1
InChIInChI=1S/C20H12F3NOS/c21-20(22,23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)25-18-11-24-12-19-17(18)9-10-26-19/h1-12H
InChIKeyQQXYZBHTUQZSKU-UHFFFAOYSA-N
XLogP6.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.38
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine?
The IUPAC name of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine (CID 58622626) is 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine is FC(F)(F)c1ccc(-c2ccc(Oc3cncc4sccc34)cc2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine?
The InChIKey is QQXYZBHTUQZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NOS/c21-20(22,23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)25-18-11-24-12-19-17(18)9-10-26-19/h1-12H.
What are the key properties of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine?
4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine has a molecular weight of 371.38 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine is sourced from PubChem (CID 58622626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).